2-((3-chloro-4-methoxyphenyl)amino)-1-(3,4,5-trimethoxyphenyl)ethan-1-one | 1038996-85-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-((3-chloro-4-methoxyphenyl)amino)-1-(3,4,5-trimethoxyphenyl)ethan-1-one
• CAS: 1038996-85-8
• 化学式: C₁₈H₂₀ClNO₅
• 分子量: 365.814
• InChiKey: YZXBSPOOXKOXKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.67
• 重原子数：
  25.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  66.02
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  potassium cyanate 、 2-((3-chloro-4-methoxyphenyl)amino)-1-(3,4,5-trimethoxyphenyl)ethan-1-one 在 溶剂黄146 作用下， 反应 1.0h， 生成 3-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one
  参考文献：
  名称：

  Design, synthesis, and in vitro antitumor activity of new 1,4-diarylimidazole-2-ones and their 2-thione analogues

  摘要：

  A series of new 1,4-diarylimidazol-2(3H)-one derivatives and their 2-thione analogues has been prepared and evaluated in vitro for antitumor activity against the NCI human cancer cell panel. Compounds bearing a 3,4,5-trimethoxyphenyl ring linked to either N-1 or C-4 position of the imidazole core demonstrated an interesting profile of cytotoxicity with preferential activity against leukemic cell lines. Compound 13 exhibited a potent antitumor activity against MOLT-4 (GI(50) = 20 nM) and SR (GI(50) = 32 nM) cell lines. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.023
• 作为产物：
  描述：

  2-溴-1-(3,4,5-三甲氧基苯基)乙酮 、 3-氯-4-甲氧基苯胺 在 碳酸氢钠 作用下， 以 甲醇 为溶剂， 反应 16.0h， 生成 2-((3-chloro-4-methoxyphenyl)amino)-1-(3,4,5-trimethoxyphenyl)ethan-1-one
  参考文献：
  名称：

  Design, synthesis, and in vitro antitumor activity of new 1,4-diarylimidazole-2-ones and their 2-thione analogues

  摘要：

  A series of new 1,4-diarylimidazol-2(3H)-one derivatives and their 2-thione analogues has been prepared and evaluated in vitro for antitumor activity against the NCI human cancer cell panel. Compounds bearing a 3,4,5-trimethoxyphenyl ring linked to either N-1 or C-4 position of the imidazole core demonstrated an interesting profile of cytotoxicity with preferential activity against leukemic cell lines. Compound 13 exhibited a potent antitumor activity against MOLT-4 (GI(50) = 20 nM) and SR (GI(50) = 32 nM) cell lines. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.023